SCHEMBL28982233

SCHEMBL28982233

COC(=O)c1ccc(Nc2nccn3ccnc23)cc1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 15/20 0.52
▸ KDR P35968 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42
▸ AURKA O14965 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL25176076 0.81 KDR (0.40) SYKKDRMEN1NPC1LMNA
SCHEMBL25173790 0.77 TTK (0.48) SYKAURKA
SCHEMBL28916349 0.77 JAK1 (0.48) —
SCHEMBL23449232 0.76 CYP46A1 (0.48) KDRMEN1LMNAMAPTKMT2A
SCHEMBL25173403 0.74 SYK (0.41) SYK
SCHEMBL2013520 0.71 TRIM33 (0.38) SYKKDRMAPT
SCHEMBL26436184 0.70 MAPT (0.57) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL1878367 0.70 KDM4E (0.49) LMNAMAPTKMT2A
SCHEMBL22123580 0.70 PTK6 (0.40) SYKKDRLMNAMAPTAURKA
SCHEMBL28961447 0.70 PTK6 (0.51) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
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